Settings#

pydantic model openfe.protocols.settings.Settings#

Container for all settings needed by a protocol

This represents the minimal surface that all settings objects will have.

Protocols can subclass this to extend this to cater for their additional settings.

Create a new model by parsing and validating input data from keyword arguments.

Raises ValidationError if the input data cannot be parsed to form a valid model.

field forcefield_settings: BaseForceFieldSettings [Required]#
field thermo_settings: ThermoSettings [Required]#